Multi-Configuration Dirac–Hartree–Fock (MCDHF) Calculations for B-Like Ions

• Main Authors: Indu Khatri, Arun Goyal, Avnindra Kumar Singh, Man Mohan
• Format: Article
• Language: English
• Published: MDPI AG 2016-05-01
• Series: Atoms
• Subjects: oscillator strength; radiative data; correlation; active set
• Online Access: http://www.mdpi.com/2218-2004/4/2/13

Relativistic configuration interaction results are presented for several B-like ions (Ge XXVIII, Rb XXXIII, Sr XXXIV, Ru XL, Sn XLVI, and Ba LII) using the multi-configuration Dirac–Hartree–Fock (MCDHF) method. The calculations are carried out in the active space approximation with the inclusion of the Breit interaction, the finite nuclear size effect, and quantum electrodynamic corrections. Results for fine structure energy levels for 1s22s22p and 2s2p2 configurations relative to the ground state are reported. The transition wavelengths, transition probabilities, line strengths, and absorption oscillator strengths for 2s22p–2s2p2 electric dipole (E1) transitions are calculated. Both valence and core-valence correlation effects were accounted for through single-double multireference (SD-MR) expansions to increasing sets of active orbitals. Comparisons are made with the available data and good agreement is achieved. The values calculated using core–valence correlation are found to be very close to other theoretical and experimental values. The behavior of oscillator strengths as a function of nuclear charge is studied. We believe that our results can guide experimentalists in identifying the fine-structure levels in their future work.